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DFT-Based Chemical Reactivity Descriptors, Pharmacokinetics and Molecular Docking Studies of Thymidine Derivatives

Computational Chemistry 2023年第4期11卷 81-103页

作者： Mohammad Ahad hossain Shahin Sultana Mohammad Mazherul Islam Sonia Akhter Faria Nur Fatima Majabin Kantom Islam kazi jawad hossain Yasuhiro Ozeki Sarkar M. A. Kawsar Laboratory of Carbohydrate and Nucleoside Chemistry (LCNC) Department of Chemistry Faculty of Science University of Chittagong Bangladesh Graduate School of NanoBio Sciences Yokohama City University Yokohama Japan

Thymidine-containing derivatives are considered to be among the most significant derivatives in medicinal chemistry. In this study, we employed a combined computational approach involving density-functional theory (DFT) calculations, molecular docking simulations, and absorption, distribution, metabolism, excretion, and toxicity (ADMET) property predictions. Prediction of activity spectra for substances (PASS) revealed promising antiviral, antimicrobial and anti-carcinogenic activities of these thymidine derivatives. Using Gaussian 09, we optimized the molecular structures of the thymidine derivatives to obtain their stable conformations and calculate their electronic properties. Subsequently, molecular docking simulations were performed to explore the binding interactions between the thymidine derivatives and the active site of the Candida albicans (PDB: 1IYL and 2Y7L) proteins. The docking results were evaluated based on docking scores, hydrogen bonding, and hydrophobic interactions and revealed favorable binding interactions between the thymidine derivatives and the proteins, suggesting their potential as antifungal agents. The thermodynamic properties, including binding free energy, enthalpy, and entropy changes were determined to assess the stability and strength of the ligands-protein complexes. The calculated pharmacokinetic parameters, such as ADMET properties, provided insights into the drug-likeness and potential bioavailability of the thymidine derivatives. These results offer a foundation for further experimental investigations and the design of novel antifungal agents targeting Candida albicans infections.

关键词： Thymidine DFT Molecular Docking Pharmacokinetics Candida albicans

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Predicting the Stitch Density of Finished Fabrics Using Weft Blended Grey Knit Fabrics

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Journal of Textile Science and Technology 2024年第3期10卷 51-63页

作者： kazi Md. Elias Mohammad Obaidur Rahman H. M. Zakir hossain Department of Physics Jahangirnagar University Savar Bangladesh Jute Textile Wing Bangladesh Jute Research Institute Dhaka Bangladesh

Stitch density is one of the critical quality parameters of knit fabrics. This parameter is closely related to other physical quality parameters like fabric weight, fabric tightness factor, fiber types, blend ratio, yarn diameter and linear density, and fabric structure. Selecting stitch density (wales per inch, course per inch) is essential to getting the appropriate fabric weight and desired quality. Usually, no rules or assumptions exist to get the desired stitch density in the finished fabric stage. Fifteen types of blended knit fabrics were prepared to conduct the study. The varying percentages of cotton, polyester, and elastane are incorporated in the blends. Regression analysis and regression ANOVA tests were done to predict the stitch density of finished fabrics. A suitable regression equation is established to get the desired results. The study also found that the stitch density value in the finished stage fabric decreases by approximately 15% compared to the stitch density in the grey fabric stage. This study will help the fabric manufacturers get the finished fabric stitch density in advance by utilizing the grey fabric stitch density data set. The author expects this research to benefit the knitting and dyeing industry, new researchers, and advanced researchers.

关键词： Wales per Inch Course per Inch Stitch Density Blended Knit Fabric

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The closed form solutions of simplified MCH equation and third extended fifth order nonlinear equation

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Propulsion and Power Research 2019年第2期8卷 163-172页

作者： A.K.M.kazi Sazzad hossain M.Ali Akbar Md.Abul Kalam Azad Department of Mathematics Begum Rokeya UniversityRangpur 5400Bangladesh Department of Applied Mathematics University of RajshahiRajshahi 6200Bangladesh

The investigation of closed form solutions for nonlinear evolution equations(NLEEs)is being an attractive subject in the different branches of mathematical and physical *** this article,the enhanced(G'=G)-expansion method has been applied to find the closed form solutions for NLEEs,such as the simplified MCH equation and third extended fifth order nonlinear equations which are very important in mathematical *** closed form solutions with arbitrary parameters are successfully obtained by this method which are expressed in terms of hyperbolic and trigonometric *** is shown that the obtained solutions are more general and fresh and can be helpful to analyze the NLEES in mathematical physics and engineering problems.

关键词： The enhanced(G'/G)-expansion method Simplified MCH equation Third extended fifth order nonlinear equation Nonlinear evolution equation(NLEEs) Closed form wave solutions

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Scalable Process to Develop Durable Conductive Cotton Fabric

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Advanced Fiber Materials 2020年第6期2卷 291-301页

作者： Md.Abdullah Al.Mamun Md.Touhidul Islam Md.Momtaz Islam kazi Sowrov Md.Afzal hossain Dewan Murshed Ahmed Hasan Shahariar Bangladesh University of Textiles Dhaka 1208Bangladesh University of Manchester ManchesterUK Funxion Wear IncRaleighNC 27606USA

Developing a scalable process is critical to manufacture conductive fabric for commercial *** paper describes a scalable coating process that is compatible with existing industrial finishing processes of *** this process,the fabric is continuously dipped in water-based metal salt and the reducing agent solution to impart conductive particles on the fiber *** 10 consecutive cycles of dip coating,the fabric shows 6Ω/*** *** process is tuned to minimize process cost and material cost,and maximize the durability of the *** paper also introduces an easy protective coating technique of the conductive fabric that improves the durability of the conductive fabric without sacrificing the comfort properties of textile fabrics such as breathability and *** encapsulated conductive fabric shows good air-permeability and it is 6.96 cm^(3)/cm^(2)/***,the conductivity of the encapsulated fabric is quite stable after four accelerated washing ***,the fabric remains conductive on the surfaces and is suitable for using as a conductive track and connectors.

关键词： Conductive fabric Scalable process Layer by layer deposition Durability

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Analysis of Immune Responses and Serological Cross Reactivities among Vibrio cholerae O1,Shigella flexneri 2a and Haemophilus influenzae b

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Cellular & Molecular Immunology 2008年第5期5卷 393-396页

作者： Fazle Rabbi Nasreen Sultana Tasmina Rahman H. M. Al-Emran M. Nizam Uddin Mahbub hossain kazi Selim Anwar Mahmuda Yasmin Jamalun Nessa Chowdhury R. Ahsan Department of Microbiology University of Dhaka Department of Pharmacy University of Asia Pacific Institute of Public Health Mohakhali

Antigenic determinants expressed on the bacterial cell surface are of importance in the serological characterization and microbiological diagnosis. The bacterial strains carrying these identical or similar antigenic epitopes might react with antibodies produced against other strains. In this study, strong immunogenicity and antigenic cross reactivity were demonstrated among V. cholerae O1, S. flexnerii 2a and H. influenzae b surface components. The enzyme linked immunosorbent assay （ELISA） results were supported by Western blot analysis, where at least 20 antigenic bands, were obtained in each of the reactions, when the surface components were reacted with the homologous antisera. The indirect ELISA results also demonstrated high degree of antigenic relatedness between the surface components of these species, where each surface component was reacted with the heterologous antisera. Western blot analysis also revealed cross reactions between the surface components suggesting common distribution of antigens/epitopes in these bacterial species. This study, thus, gave a clear idea of the level of antigenic sharing and variations among the pathogenic V. cholerae O1, S. flexneri 2a and H. influenzae b strains, which in future, may help in selecting a proper candidate for vaccines and immunodiagnostics development.

关键词： V. cholerae O1 S. flexnerii 2a H. influenzae b cross antigen

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Preparation and Properties of Indium Selenide （InSe） Thin Films for Selective Surface Applications

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Journal of Physical Science and Application 2011年第1期1卷 37-43页

作者： Jaker hossain Md. Julkamain kazi Shaifullah Sharif Khairul Alam Khan Department of Applied Physics ＆ Electronic Engineering University of Rajshahi Rajshahi 6205 Bangladesh

Indium selenide （InSe） thin films have been prepared by e-beam technique onto glass substrate at a pressure of-8 × 10^-5 Pa. The deposition rate of the InSe thin films is -8.30 nms^-1. InSe samples grown at room temperature have been termed as virgin, whereas the films at which the transition in electrical conductivity is shown to exhibit at a temperature of 415 to 455 K have been termed as phase-transited samples. X-ray diffraction （XRD） study reveals that lnSe thin films are amorphous in nature before phase-transition while they are polycrystalline after phase-transition. Scanning electron microscopy （SEM） has been used to study the surface morphology of InSe thin films. Before phase-transition grains are absent in the films and surfaces are almost smooth and uniform. Film surfaces are seen to exhibit a number of grains after phase-transition and they are rough in surfaces. The elemental composition of the lnSe thin films has been estimated by EDAX method. The effects of temperature on the electrical properties of InSe thin films have been studied in details. Temperature dependence of electrical conductivity shows a semiconducting behavior with activation energy. Thickness dependence of conductivity is well in conformity with the Fuchs-Sondheimer theory. Thermopower study indicates that the InSe film is an n-type semiconductor. The optical study of InSe thin films is carried out in the wavelength range 360 to 1100 nm at room temperature. The study of absorption coefficient of InSe thin films shows a direct type transition with a band gap of=1.65 eV which is well agreed with the reported values. Integrated values of luminous and solar transmittance as well as of reflectance have been calculated. Appreciable order of transmittance and reflectance suggest that this material is a potential candidate for the application in selective surface devices.

关键词： InSe thin films e-beam technique XRD SEM thermopower.

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Studying the Effect of Polyester Fiber Blend Ratio and Pilling Cycle on Blended Knit Fabrics

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Journal of Textile Science and Technology 2023年第4期9卷 227-243页

作者： kazi Md. Elias Mohammad Obaidur Rahman H. M. Zakir hossain Testing Laboratory Textile Testing Services Ltd. Gazipur Bangladesh Department of Physics Jahangirnagar University Dhaka Bangladesh Jute Textile Wing Bangladesh Jute Research Institute Dhaka Bangladesh

Pilling is a severe concern for blended fabrics. The aesthetic look and smoothness are the buyers’ prime requirements. The main focus of the study was to see the pilling behavior from various percentages of polyester fiber blend ratio as well as the different pilling cycles on blended fabrics. The cotton, polyester, and elastane prepared the study fabrics. These fabrics are (90% Cotton/5% Polyester/5% Elastane, 90% Cotton/6% Polyester/4% Elastane, 90% Cotton/7% Polyester/3% Elastane, 90% Cotton/8% Polyester/2% Elastane, and 90% Cotton/9% Polyester/1% Elastane, 85% Cotton/10% Polyester/5% Elastane, 85% Cotton/11% Polyester/4% Elastane, 85% Cotton/12% Polyester/3% Elastane, 85% Cotton/13% Polyester/2% Elastane, and 85% Cotton/ 14% Polyester/1% Elastane, 80% Cotton/15% Polyester/5% Elastane, 80% Cotton/16% Polyester/4% Elastane, 80% Cotton/17% Polyester/3% Elastane, 80% Cotton/18% Polyester/2% Elastane, and 80% Cotton/19% Polyester/1% Elastane). The selected polyester blend ratios were 5%, 6%, 7%, 8%, 9%, 10%, 11%, 12%, 13%, 14%, 15%, 16%, 17%, 18% and 19% respectively. The study used the Martindale pilling tester with 2000, 5000, and 7000 cycles, respectively. The evaluation followed the ISO 12945-2:2000. The study findings are that the polyester fiber blend ratio did not influence the pilling grade on blended fabrics for pilling cycles 2000, and the pilling grade remained constant at 4 - 5. The pilling grade started to deteriorate in pilling cycle 5000 for the fabrics 85%C/10%P/5%E, 85%C/11%P/4%E, 85%C/12%P/3%E, 85%C/ 13%P/2%E, 85%C/14%P/1%E showed the pilling grade 4, and the fabrics made from 80%C/15%P/5%E, 80%C/16%P/4%E, 80%C/17%P/3%E, 80%C/ 18%P/2%E, 80%C/19%P/1%E showed the pilling grade 4, 3, 3, 3, and 3 respectively. For the pilling cycles 7000, the pilling grade further deteriorated for the fabrics 80%C/15%P/5%E, 80%C/16%P/4%E, 80%C/17%P/3%E, 80%C/ 18%P/2%E, 80%C/19%P/1%E showed the pilling grade 3, 3, 2, 2, and 2 respectively. The study finds the dominance o

关键词： Pilling Cotton Polyester Elastane Blended Knit Fabric

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Predicting Bursting Strength Behavior of Weft Knitted Fabrics Using Various Percentages of Cotton, Polyester, and Spandex Fibers

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Journal of Textile Science and Technology 2023年第4期9卷 273-290页

The bursting strength is an essential quality parameter of knit fabric. The fabric structure, weight, types of fibers, and fiber blend proportion influence the bursting strength parameter. The tenacity of polyester fiber is better than cotton and spandex. The study focused on predicting knit fabric bursting strength test value using different fibers (cotton, polyester, and spandex) with varying percentages of the blend ratio. This study used fifteen categories of blended fabrics. The Pearson Correlation and the hypothetical ANOVA regression analysis were conducted to do the statistical significance test. The experimental result reveals that the bursting strength test result increased with the increased percentage of polyester and suggested a suitable regression equation. The dominance of the polyester fiber was observed throughout the experiment, i.e., the higher the polyester blend proportion, the higher the bursting strength value. The inclusion of polyester in blends can reduce the cost of fabric. The developed prediction model or equation can help the fabric manufacturer make appropriate decisions regarding getting the expected bursting strength. The researcher hopes that the findings from this study will motivate new researchers, advanced researchers, and the textile manufacturing industry.

关键词： Kilopascal Prediction Bursting-Strength Blended Fabric Cotton Polyester Spandex

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Styloid Process Is the Robust Landmark for Identification of the Facial Nerve during Parotid Surgery

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International Journal of Otolaryngology and Head & Neck Surgery 2022年第4期11卷 164-174页

作者： Ashraful Islam Mashiur Rahman Tareq Mohammad Milon kazi Nazmul hossain Choudhury ASM Lutfur Rahman Farid Uddin Milki Head Otolaryngology—Head & Neck Surgery Bangladesh Medical College & Hospital Dhaka Bangladesh ENT Bangladesh Medical College & Hospital Dhaka Bangladesh

Objective: To identify the facial nerve trunk (FNT) very easily. quickly and accurately considering the styloid process as the robust anatomically consistent landmark during parotid surgery. Patients and Methods: This prospective study was conducted between January 2010 to December 2022 at a Tertiary care hospital. It included 130 patients: 84 (65%) males and 46 (35%) females with a mean age of 43.52 ± 15.63 years. Patients presented with pleomorphic adenoma (90), chronic sialectasis (05), parotid cyst (03), parotid sinus (01), mucoepidermoid carcinoma (28), adenoid cystic carcinoma (02) and squamous cell carcinoma (01) were subjected to superficial parotidectomy and total parotidectomy. The outcome was evaluated regarding the clinical success of facial nerve function that considered the location of the styloid process in the triangle technique for identification of the FNT during parotid surgery. Results: All 130 patients underwent superficial and total parotidectomy. The facial nerve trunk was successfully identified as the location of the styloid process in the triangle technique in all the patients with no intra-operative complications. Operative time ranged from 50 to 180 minutes with a mean time 90.70 ± 15.68 minutes. Dysfunction of the angle of the mouth due to the deficit of the marginal mandibular nerve (MMN) was noted in 5 patients (3.8%), 02 had difficulty in eye closure (1.5%). No patient reported surgical site infection, skin flap necrosis and hematoma in this series. Conclusion: Styloid process is the prominent robust landmark in the triangle technique for the identification of facial nerve trunk with relative ease, safety and accuracy in the parotid surgical procedure. This can be a very useful method to locate the FNT and minimize facial nerve injury during parotid surgery.

关键词： Facial Nerve Trunk Identification Styloid Process Parotid Surgery

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Isolated Endophytic Fungi from the Plant <i>Curcuma longa</i>and Their Potential Bioactivity—A Review

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Pharmacology & Pharmacy 2019年第5期10卷 244-270页

作者： kazi Jannatul Ferdous Farhana Afroz Md. Rakibul Islam Md. Abdul Mazid Md. hossain Sohrab Department of Biochemistry and Molecular Biology University of Dhaka Dhaka Bangladesh Pharmaceutical Sciences Research Division Bangladesh Council of Scientific and Industrial Research Dhaka Bangladesh Department of Pharmaceutical Chemistry University of Dhaka Dhaka Bangladesh

Endophytes (both fungi and bacteria) represent a treasure house for bioactive compounds such as anticancer, immunomodulatory, antioxidant, antiparasitic, insecticidal etc. for use in the pharmaceutical and agrochemical industries. Endophytic population is greatly influenced by climatic conditions and location where the host plant grows. Curcuma longa L. (Turmeric) is a medicinal plant belonging to the Zingiberaceae family that is usually used as spice and preservative. Traditionally it is used to treat various conditions and symptoms such as digestive disorders, arthritis, cardiovascular conditions, cancer, bacterial infections etc. In recent times, there have been different discoveries on endophytic fungi and their biological activity from C. longa. But there is no comprehensive review on endophytic fungi of C. longa. The aim of this review is to analyze the published report based on the endophytic fungi to provide for the first time an updated information about their isolation from different tissues, their biological activities including the phytochemistry of C. longa. This will lead the way to forecast the missing link for future research work.

关键词： Curcuma longa Endophytes Compounds Bioactivity

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